异戊酸酐
TL;DR: 异戊酸酐 (CAS 1468-39-9) is a chemical compound with molecular formula C10H18O3 and molecular weight 186.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异戊酸酐
3-methylbutanoyl 3-methylbutanoate
Also Known As: Isovaleric anhydride, 3-methylbutanoic anhydride, 3-methylbutanoyl 3-methylbutanoate, Isovalericanhydride, isopentanoic anhydride
| Molecular Formula | C10H18O3 |
|---|---|
| Molecular Weight | 186.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.1256 |
| Heavy Atoms | 13 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 1468-39-9 |
|---|---|
| SMILES | CC(C)CC(=O)OC(=O)CC(C)C |
| InChIKey | FREZLSIGWNCSOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异戊酸酐 (CAS 1468-39-9), with molecular formula C10H18O3 and molecular weight 186.13 g/mol. IUPAC: 3-methylbutanoyl 3-methylbutanoate.
Chemical Property Profile of 异戊酸酐
Property Insights of 异戊酸酐
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异戊酸酐. With a topological polar surface area (TPSA) of 43.4 Ų, 异戊酸酐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异戊酸酐 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 异戊酸酐?
The CAS number of 异戊酸酐 is 1468-39-9.
What is the molecular formula of 异戊酸酐?
The molecular formula of 异戊酸酐 is C10H18O3.
What is the molecular weight of 异戊酸酐?
The molecular weight of 异戊酸酐 is 186.13 g/mol.
Where can I buy 异戊酸酐?
You can request a quote for 异戊酸酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异戊酸酐?
Yes, KEHONG BIO provides custom synthesis services for 异戊酸酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.